CR6086

Ligand id: 9845

Name: CR6086

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 69.64
Molecular weight 472.2
XLogP 5.23
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
CR6086 at concentrations up to 10 μM showed no significant binding affinities for the other eicosanoid receptors and did not inhibit COX enzyme activities [1].
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
EP4 receptor Hs Antagonist Antagonist 9.3 pKd - 1
pKd 9.3 (Kd 5.4x10-10 M) [1]
EP4 receptor Rn Antagonist Antagonist 8.7 pKd - 1
pKd 8.7 (Kd 1.96x10-9 M) [1]
EP4 receptor Mm Antagonist Antagonist 8.7 pKd - 1
pKd 8.7 (Kd 2.14x10-9 M) [1]
EP4 receptor Hs Antagonist Antagonist 7.8 pKi - 1
pKi 7.8 (Ki 1.66x10-8 M) [1]